Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.7770    0.0296    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.5862   -0.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631   -0.1051   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967   -0.9303   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9749    1.2951   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    2.4300    0.1457 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    0.2038    1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    0.9579   -0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6271   -0.6702   -0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363   -2.0009   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226   -0.6237   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers